2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine

C13H15F4NO — CID 106290183

IUPAC2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCC(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO/c1-12(2)10(18-7-13(16,17)11(14)15)8-5-3-4-6-9(8)19-12/h3-6,10-11,18H,7H2,1-2H3
InChIKeyVAQZJHGPFYEXJF-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.39
Rot. Bonds4

About 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine

2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine (PubChem CID 106290183) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
PubChem CID106290183
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
SMILESCC1(C)Oc2ccccc2C1NCC(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO/c1-12(2)10(18-7-13(16,17)11(14)15)8-5-3-4-6-9(8)19-12/h3-6,10-11,18H,7H2,1-2H3
InChIKeyVAQZJHGPFYEXJF-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
1-N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 106700808
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-ethoxypropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701430
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701067
N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
CID 106701339
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine (CID 106290183) is 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine is CC1(C)Oc2ccccc2C1NCC(F)(F)C(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine?
The InChIKey is VAQZJHGPFYEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-12(2)10(18-7-13(16,17)11(14)15)8-5-3-4-6-9(8)19-12/h3-6,10-11,18H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine has a molecular weight of 277.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106290183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).